General Information of the Compound
Compound ID
CP0899613
Compound Name
7-cyclopropyl-4-(piperazin-1-yl)quinazolin-2-amine
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Structure
Formula
C15H19N5
Molecular Weight
269.352
Canonical SMILES
Nc1nc(N2CCNCC2)c2ccc(C3CC3)cc2n1
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InChI
InChI=1S/C15H19N5/c16-15-18-13-9-11(10-1-2-10)3-4-12(13)14(19-15)20-7-5-17-6-8-20/h3-4,9-10,17H,1-2,5-8H2,(H2,16,18,19)
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InChIKey
QJEBESRHAPCDHQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.499
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
67.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 71603139
SID: 163684430
ChEMBL ID
CHEMBL2376793
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 154.88 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 11.48 nM
   TI
   LI
   LO
   TS